ChemSpider 2D Image | Methyl (1S,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C22H20O9

Methyl (1S,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC22H20O9
  • Average mass428.389 Da
  • Monoisotopic mass428.110718 Da
  • ChemSpider ID62369710

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2R,4S)-2-Éthyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-, methyl ester, (1S,2R,4S)- [ACD/Index Name]
Methyl (1S,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1S,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 205.3±23.6 °C
Index of Refraction: 1.705
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 429.43
ACD/KOC (pH 5.5): 2567.19
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 19.99
ACD/KOC (pH 7.4): 119.47
Polar Surface Area: 162 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 86.5±3.0 dyne/cm
Molar Volume: 268.8±3.0 cm3

Click to predict properties on the Chemicalize site


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